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DNA origami is a widely used method to construct nanostructures byself-assembling designed DNA strands. These structures are often used as"breadboards" for templated assembly of proteins, gold nanoparticles, aptamers,and other molecules, with applications ranging from therapeutics anddiagnostics to plasmonics and photonics. Imaging these structures using AFM orTEM is not capable to capture their full conformation ensemble as they onlyshow their structure flattened on a surface. However, certain conformations ofthe nanostructure can position guest molecules into distances unaccounted forin their intended design, thus leading to spurious interactions between guestmolecules that are designed to be separated. Here, we use molecular dynamicssimulations to capture conformational ensemble of 2D DNA origami tiles and showthat introducing single-stranded overhangs, which are typically used forfunctionalization of the origami with guest molecules, induces a curvature ofthe tile structure in the bulk. We show that the shape deformation is ofentropic origin, with implications for design of robust DNA origami breadboardsas well as potential approach to modulate structure shape by introducingoverhangs. We then verify experimentally that the overhangs introduce curvatureinto the DNA origami tiles.

Hairygami: Analysis of DNA Nanostructures' Conformational Change Driven by Functionalizable Overhangs